Compound Identification
SMILES
CC1(C)C2(C)CCC1(OC2=O)C(=O)N(CC1(O)CCC2C1(C)CCC1C3(C)CCC(O)CC33C=CC21C(=C3)C(=O)C1=CC=C(O1)C1=C(Cl)C=CC(=C1)C(F)(F)F)CC12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=NQNIIJPFQRLJAF-UHFFFAOYSA-N
Formula
C55H65ClF3NO7
Mass
944.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Aryl ketones Chlorobenzenes Delta valerolactones Aryl chlorides Gamma butyrolactones Oxanes Pyrans Tetrahydrofurans Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary alcohols Furans Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Aryl ketone - Chlorobenzene - Delta valerolactone - Halobenzene - Delta_valerolactone - Aryl chloride - Aryl halide - Gamma butyrolactone - Oxane - Pyran - Cyclic alcohol - Furan - Heteroaromatic compound - Tetrahydrofuran - Tertiary alcohol - Tertiary carboxylic acid amide - Secondary alcohol - Carboxamide group - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Alcohol - Organopnictogen compound - Alkyl halide - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available